MMsINC Database Search


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MMsINC code: MMs00119195

Type: Neutral
Formula: C₁₆H₁₄N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(N2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C16H14N2O4S/c1-17(2)23(21,22)12-9-7-11(8-10-12)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.098 kcal/mol

Physical Properties
Molecular Weight: 330.364 g/mol	logS: -3.67215	SlogP: 1.7375	Reactive groups: 0

Topological Properties
Globularity: 0.0400487	Sterimol/B1: 2.56277	Sterimol/B2: 2.73009	Sterimol/B3: 4.55929
Sterimol/B4: 5.26484	Sterimol/L: 16.3337

Surface and Volume Properties
Accessible surface: 526.656	Positive charged surface: 300.38	Negative charged surface: 226.276	Volume: 285.5
Hydrophobic surface: 402.119	Hydrophilic surface: 124.537

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.